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Confined effects on structural isomers in the MCM-41-SIL matrix as seen by extrinsic probes via PALS and ESR: n-butanol vs tert-butanol

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F21%3A00544637" target="_blank" >RIV/61389013:_____/21:00544637 - isvavai.cz</a>

  • Result on the web

    <a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.1c01951" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.1c01951</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1021/acs.jpcc.1c01951" target="_blank" >10.1021/acs.jpcc.1c01951</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Confined effects on structural isomers in the MCM-41-SIL matrix as seen by extrinsic probes via PALS and ESR: n-butanol vs tert-butanol

  • Original language description

    The structural–dynamic states of n-butanol (n-BuOH) and tert-butanol (t-BuOH) isomers as representatives of a linear or globular protic polar medium in the bulk and confined states in the Mobile Composition Matter-41 (MCM-41) matrix obtained from the free volume and phase behavior using positron annihilation lifetime spectroscopy (PALS) or differential scanning calorimetry (DSC), respectively, together with the spectral properties and related mobility and interaction of the spin probe (2,2,6,6-tetramethylpiperidin-1-yl)oxyl (TEMPO) using electron spin resonance (ESR), are presented. In the bulk t-BuOH, the typical τ3 vs T response for strongly crystallizing globular organics with a stepwise effect in the vicinity of Tm is found. On the other hand, the bulk n-BuOH exhibits a complicated course depending on thermal cycling due to the distinct crystallization ability of the linear constituents due to their intermolecular H-bonding. Under confinement, both n-BuOH and t-BuOH media in the MCM-41-SIL matrix were amorphized and heterogenized with larger mean free volume sizes and strong broadening of their dispersion with respect to the corresponding bulk states. In addition, very distinct temperature dependences in τ3 vs T/Tg plots with some anomalous effect in the subplateau region in the linear isomer correlating with the DSC response are observed. In the ESR experiment, a drastic difference in the most pronounced characteristic ESR temperature marking a transition from the slow-to-fast-motion regime with the following relations was found: T50G(b) ≅ TmDSC(b) for n-BuOH against T50G(b) ≪ TmDSC(b) for t-BuOH, where TmDSC(b) is the respective melting point. Further, several changes in the TEMPO mobility in both BuOH media are related to the numerous dynamic and thermodynamic transitions as obtained from measured DSC, PALS, and literary viscosity data. Finally, the changes in hyperfine splitting constants of TEMPO sensitively reflect the altered structural–dynamic relationships in both confined BuOH isomers with close coincidences between all three characteristic PALS and ESR temperatures, indicating the same origin of the underlying processes behind the changes in spin probe mobility or free volume expansion.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10404 - Polymer science

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2021

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Physical Chemistry C

  • ISSN

    1932-7447

  • e-ISSN

    1932-7455

  • Volume of the periodical

    125

  • Issue of the periodical within the volume

    29

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    16

  • Pages from-to

    15796-15811

  • UT code for WoS article

    000680445800004

  • EID of the result in the Scopus database

    2-s2.0-85111597830